Geometry & MOs

Info

ID:	156154
PubChem CID:	56369341
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	419.12084
ΔH_f, kcal/mol:	-40.54
Dipole, Da:	3.61
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-ethylpyrrol-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)C1CC(=NN1C2=CC=CC=C2)C(=O)NCCCN3CCCCCC3

DOS

IR

Vibrations