Geometry & MOs

Info

ID:	217635
PubChem CID:	85088142
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	383.224915
ΔH_f, kcal/mol:	-31.67
Dipole, Da:	4.94
IP(EA), eV:	-8.82(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CC(CCCCC(C(C)OCC1=CC=CC=C1)N2C=NC3=C(N=CN=C32)N)O

DOS

IR

Vibrations