Geometry & MOs

Info

ID:	190071
PubChem CID:	77950118
Reduced:	O3N4C29H38 (1)
Stoich.:	A3B4C29D38 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	2.42
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7,7,9-trimethyl-8-oxo-6,9-dihydro-5H-pyrido[3,2-c]azepin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1=C(C=CC=C1OC)CN(C)C(=O)C=CC2=CC3=C(NC(=O)C4(CCCC4)NC3)N=C2

DOS

IR

Vibrations