Geometry & MOs

Info

ID:	354000
PubChem CID:	127285657
Reduced:	N3O3C16H31 (1)
Stoich.:	A3B3C16D31 (1)
Weight, g/mol:	389.253923
ΔH_f, kcal/mol:	-158.2
Dipole, Da:	2.95
IP(EA), eV:	-9.0(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1CCCCC1OCCNC(=O)NCC2CN(CCO2)C

DOS

IR

Vibrations