Geometry & MOs

Info

ID:	346778
PubChem CID:	127271282
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	5.97
IP(EA), eV:	-9.35(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-[1-(oxolan-2-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)NC2CCCC3=C2C=NN3C

DOS

IR

Vibrations