Geometry & MOs

Info

ID:	369012
PubChem CID:	127331116
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-198.08
Dipole, Da:	8.39
IP(EA), eV:	-9.18(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-morpholin-4-ylbutan-2-yl)-1-(pyrazin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(CCO1)C(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations