Geometry & MOs

Info

ID:	325148
PubChem CID:	126681485
Reduced:	FOSN6C26H27 (1)
Stoich.:	ABCD6E26F27 (1)
Weight, g/mol:	469.259009
ΔH_f, kcal/mol:	57.63
Dipole, Da:	3.67
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1-methylpyrazol-4-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(C3=NC=CS3)NCC4CC4)F)C5=CC=CC(=C5)CN

DOS

IR

Vibrations