Geometry & MOs

Info

ID:	351041
PubChem CID:	127279478
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	312.216141
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	5.86
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations