Geometry & MOs

Info

ID:	354236
PubChem CID:	127286200
Reduced:	O3N4C17H30 (1)
Stoich.:	A3B4C17D30 (1)
Weight, g/mol:	312.216141
ΔH_f, kcal/mol:	-150.8
Dipole, Da:	4.35
IP(EA), eV:	-8.54(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-morpholin-4-ylbutan-2-yl)-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)NC(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations