Geometry & MOs

Info

ID:	370166
PubChem CID:	127337621
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	4.61
IP(EA), eV:	-9.04(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC3(CC3)C4=CC=CC=C4C

DOS

IR

Vibrations