Geometry & MOs

Info

ID:	446560
PubChem CID:	135276010
Reduced:	O3N7C22H25 (1)
Stoich.:	A3B7C22D25 (1)
Weight, g/mol:	341.171497
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	3.28
IP(EA), eV:	-8.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-amino-2-(aminomethylidene)-4,4-difluoro-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC(=C(C=C3N=C2NCCCCNC(=O)C4=CN=CC=C4)OC)OC

DOS

IR

Vibrations