Geometry & MOs

Info

ID:	337303
PubChem CID:	127256985
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	453.17394
ΔH_f, kcal/mol:	-110.28
Dipole, Da:	5.16
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-4-[[(6R)-5-bromo-1-ethyl-4-methyl-1,4-diazepan-6-yl]-methylamino]-3-methoxybut-2-enyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCO/C=C\1/CC(=O)NC=C1C(=O)N

DOS

IR

Vibrations