Geometry & MOs

Info

ID:	327650
PubChem CID:	126690634
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	350.235814
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	2.75
IP(EA), eV:	-8.16(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11E)-9-propan-2-yl-11-(3-pyrrolidin-1-ylpropylidene)-4,5-dihydro-3H-[1]benzoxepino[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC/C=C(\C1=C(NCC=C1)C)/C2=C(C=CC(=C2)C(C)(C)O)O

DOS

IR

Vibrations