Geometry & MOs

Info

ID:	359244
PubChem CID:	127297761
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	5.69
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)NCC3CCOC4=CC=CC=C34

DOS

IR

Vibrations