Geometry & MOs

Info

ID:	147269
PubChem CID:	53786924
Reduced:	ON3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	479.203191
ΔH_f, kcal/mol:	-38.27
Dipole, Da:	7.66
IP(EA), eV:	-8.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4S)-8-[3-[(4-methylpyridin-2-yl)amino]propoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetate

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C=C1)C(=O)NCCCCN2CC=CN=C2)CCCC

DOS

IR

Vibrations