Geometry & MOs

Info

ID:	147425
PubChem CID:	53787081
Reduced:	N3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	475.283492
ΔH_f, kcal/mol:	94.57
Dipole, Da:	3.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.446777
Charge, e:	0

Chem-info

IUPAC name:

(2-butoxyphenyl) N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C=CC=CC3=[N+]2N

DOS

IR

Vibrations