Geometry & MOs

Info

ID:	144262
PubChem CID:	53339962
Reduced:	ClOF3N6C30H32 (1)
Stoich.:	ABC3D6E30F32 (1)
Weight, g/mol:	458.112123
ΔH_f, kcal/mol:	-121.4
Dipole, Da:	2.85
IP(EA), eV:	-8.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NCC4=CN=C5C(=C4Cl)C=CN5)C(F)(F)F

DOS

IR

Vibrations