Geometry & MOs

Info

ID:	364132
PubChem CID:	127314305
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	4.5
IP(EA), eV:	-8.93(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)NC3CCCCNC3=O

DOS

IR

Vibrations