Geometry & MOs

Info

ID:	362303
PubChem CID:	127307325
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-102.88
Dipole, Da:	5.3
IP(EA), eV:	-8.8(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)NC(C)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations