Geometry & MOs

Info

ID:	167483
PubChem CID:	74834833
Reduced:	N5O7C22H35 (2)
Stoich.:	A5B7C22D35 (2)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-664.2
Dipole, Da:	7.64
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(2-phenylethenyl)pyrimidin-4-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C)N

DOS

IR

Vibrations