Geometry & MOs

Info

ID:	265557
PubChem CID:	103529951
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-99.49
Dipole, Da:	7.12
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2-methoxyphenyl)-(3-methoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1)Cl)C(=O)NCC2(CCOCC2)C

DOS

IR

Vibrations