Geometry & MOs

Info

ID:	244760
PubChem CID:	99381432
Reduced:	ClO3N5C25H30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	483.203717
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	5.88
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(3R)-3-carbamoylpiperidin-1-yl]benzoyl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl)C(=O)N

DOS

IR

Vibrations