Geometry & MOs

Info

ID:	141027
PubChem CID:	52805477
Reduced:	BrON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	18.75
Dipole, Da:	5.81
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@H]2CCCN(C2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations