Geometry & MOs

Info

ID:	241806
PubChem CID:	96024320
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	21.8
Dipole, Da:	1.34
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[2-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C(N=C(S3)C)C)C=C1)C

DOS

IR

Vibrations