Geometry & MOs

Info

ID:	345535
PubChem CID:	127269835
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	2.88
IP(EA), eV:	-8.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NC3CCCNC3=O

DOS

IR

Vibrations