Geometry & MOs

Info

ID:	135973
PubChem CID:	51961309
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	5.72
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(dimethylamino)phenyl]methyl]-3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@H]2CCCN(C2)CC(=O)NC3=CC=CC=C3N4CCCC4=O

DOS

IR

Vibrations