Geometry & MOs

Info

ID:	345370
PubChem CID:	127269670
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-95.13
Dipole, Da:	1.37
IP(EA), eV:	-8.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CN2CCC(CC2)NC(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations