Geometry & MOs

Info

ID:	423619
PubChem CID:	135119861
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	61.95
Dipole, Da:	3.98
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)NC(C)C2=CN=CC=C2

DOS

IR

Vibrations