Geometry & MOs

Info

ID:	422674
PubChem CID:	135118227
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	364.159849
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	9.95
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopent-3-en-1-yl-[4-[4-(difluoromethoxy)benzoyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2C)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations