Geometry & MOs

Info

ID:	313345
PubChem CID:	126613980
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	445.227789
ΔH_f, kcal/mol:	-165.12
Dipole, Da:	7.0
IP(EA), eV:	-9.45(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-3-(fluoromethyl)-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)OC)N(CC1=CC=CC=C1)CC2(CCN2C(=O)O)C(C)(C)C

DOS

IR

Vibrations