Geometry & MOs

Info

ID:	434523
PubChem CID:	135175126
Reduced:	ON4C33H52 (1)
Stoich.:	AB4C33D52 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	1.6
IP(EA), eV:	-7.94(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[2-ethenyl-3-(methylaminomethyl)phenyl]pent-4-ynyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2CCC(C2)NC(C)(C)CCC(C)(C)C3=CC(=NC=C3)OC4CC(C4)NC(C)(C)C

DOS

IR

Vibrations