Geometry & MOs

Info

ID:	186875
PubChem CID:	77499863
Reduced:	O4N6C25H32 (1)
Stoich.:	A4B6C25D32 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-86.14
Dipole, Da:	7.77
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)NN2CC3C(C2)NNC3NC(=O)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations