Geometry & MOs

Info

ID:	126873
PubChem CID:	50982920
Reduced:	ON8C18H20 (1)
Stoich.:	AB8C18D20 (1)
Weight, g/mol:	307.179696
ΔH_f, kcal/mol:	107.96
Dipole, Da:	7.68
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)C2=NN=C(O2)CNCCC3=NC(=NN3)C4=CN=CC=C4

DOS

IR

Vibrations