Geometry & MOs

Info

ID:	137218
PubChem CID:	52172770
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	2.66
IP(EA), eV:	-8.99(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CN2C(=O)C3(CCCCCCC3)NC2=O)C4CC4

DOS

IR

Vibrations