Geometry & MOs

Info

ID:	425816
PubChem CID:	135128138
Reduced:	ON2H20C23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	392.181253
ΔH_f, kcal/mol:	124.2
Dipole, Da:	2.27
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4H-azepin-6-yl)-7-(2,4-difluorophenyl)-N,N,5-trimethyl-1,3-diazecin-4-amine

Drug info:

PubChemData

Smile

CC1C2=C1C=C(C=C2)C3=CC(=CC=C3)OCC4=NN(C5=CC=CC=C54)C

DOS

IR

Vibrations