Geometry & MOs

Info

ID:	145362
PubChem CID:	53509504
Reduced:	BrON4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	4.78
Dipole, Da:	5.63
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(2-phenylazepane-1-carbonyl)piperidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CCNC2=NC=NC3=C2C=CC=C3Br

DOS

IR

Vibrations