Geometry & MOs

Info

ID:	330617
PubChem CID:	127248024
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	6.02
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-chromen-3-yl-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2(CCN(C2)C(=O)CCN3C4=CC=CC=C4C=N3)O

DOS

IR

Vibrations