Geometry & MOs

Info

ID:	423597
PubChem CID:	135119797
Reduced:	N3C9H13 (2)
Stoich.:	A3B9C13 (2)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	62.6
Dipole, Da:	3.3
IP(EA), eV:	-8.43(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindol-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NC(C2CC2)C3=NC=CN3C)N4CCCC4)C

DOS

IR

Vibrations