Geometry & MOs

Info

ID:	142841
PubChem CID:	53098693
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	392.140389
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	3.67
IP(EA), eV:	-9.34(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(C2=O)C3CCN(CC3)C(=O)NCCC(C)C

DOS

IR

Vibrations