Geometry & MOs

Info

ID:	173863
PubChem CID:	75691312
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	3.54
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxoazepan-1-yl)-1-phenylethyl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)NC2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations