Geometry & MOs

Info

ID:	175743
PubChem CID:	75942655
Reduced:	N3O5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	455.253255
ΔH_f, kcal/mol:	-252.75
Dipole, Da:	2.5
IP(EA), eV:	-9.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(1-benzylpyrazole-4-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCC(C2)C(=O)NCCNC(=O)OC(C)(C)C)C

DOS

IR

Vibrations