Geometry & MOs

Info

ID:	350604
PubChem CID:	127278639
Reduced:	ClOSN5C16H20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	28.91
Dipole, Da:	5.39
IP(EA), eV:	-8.76(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,4-dihydro-2H-chromene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Cl)N3CCN(CC3)C

DOS

IR

Vibrations