Geometry & MOs

Info

ID:	313348
PubChem CID:	126614038
Reduced:	OF2N3C13H13 (2)
Stoich.:	AB2C3D13E13 (2)
Weight, g/mol:	440.23246
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	3.13
IP(EA), eV:	-9.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(C(=N3)C(F)(F)F)OC(=O)NCC4=C(C(=C(C=C4)CN)F)C

DOS

IR

Vibrations