Geometry & MOs

Info

ID:	266787
PubChem CID:	103579424
Reduced:	N4O5C12H16 (1)
Stoich.:	A4B5C12D16 (1)
Weight, g/mol:	377.0124
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	7.33
IP(EA), eV:	-9.73(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxypyrrolidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations