Geometry & MOs

Info

ID:	345536
PubChem CID:	127269836
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	3.75
IP(EA), eV:	-8.34(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)NC3CCCNC3=O

DOS

IR

Vibrations