Geometry & MOs

Info

ID:	156689
PubChem CID:	56371742
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	376.191756
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	5.17
IP(EA), eV:	-8.84(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(1-cycloheptylpyrrolidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)COC1=CC=CC(=C1)C(=O)NC2CCN(C2)C3CCCCCC3

DOS

IR

Vibrations