Geometry & MOs

Info

ID:	59385
PubChem CID:	24847397
Reduced:	NO3C25H32 (1)
Stoich.:	AB3C25D32 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-93.17
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136813
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C

DOS

IR

Vibrations