Geometry & MOs

Info

ID:	46720
PubChem CID:	10526645
Reduced:	ON4C27H34 (1)
Stoich.:	AB4C27D34 (1)
Weight, g/mol:	430.229014
ΔH_f, kcal/mol:	0.43
Dipole, Da:	4.84
IP(EA), eV:	-8.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1-(4-methylphenyl)sulfonyl-N,N-dipropyl-2,3,4,5-tetrahydro-1-benzazepin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC(=CC=C2)C3=CC=NN3)C4CCCCCC4)C

DOS

IR

Vibrations