Geometry & MOs

Info

ID:	345306
PubChem CID:	127269549
Reduced:	O4N5C17H21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	3.91
IP(EA), eV:	-9.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepane-1-carbonyl)phenyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)NC2=CC=CC(=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations