Geometry & MOs

Info

ID:	345363
PubChem CID:	127269663
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-47.55
Dipole, Da:	3.68
IP(EA), eV:	-8.16(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-4-(2-phenylacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)NC2=CC3=C(C=C2)OCCC3)C4=CC=NC=C4

DOS

IR

Vibrations