Geometry & MOs

Info

ID:	152573
PubChem CID:	56311538
Reduced:	N3O3C29H33 (1)
Stoich.:	A3B3C29D33 (1)
Weight, g/mol:	382.05146
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	8.42
IP(EA), eV:	-8.6(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromothiophen-2-yl)methyl]-4-[(2-fluorophenyl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations