Geometry & MOs

Info

ID:	379600
PubChem CID:	134448967
Reduced:	BrF2O2N3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	472.14739
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	4.73
IP(EA), eV:	-9.26(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[6-bromo-5-(1-propan-2-ylazepan-4-yl)oxy-1H-indole-2-carbonyl]-3-(dimethylamino)prop-2-enenitrile

Drug info:

PubChemData

Smile

CN(C)C/C=C(\C#N)/C(=O)C1=CC2=CC(=C(C=C2N1)Br)OCC(F)F

DOS

IR

Vibrations