Geometry & MOs

Info

ID:	59646
PubChem CID:	24891413
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	6.08
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(OC2=CC=CC=C21)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)CCC4)N=C3

DOS

IR

Vibrations