Geometry & MOs

Info

ID:	236238
PubChem CID:	92711995
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-50.89
Dipole, Da:	4.52
IP(EA), eV:	-8.65(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[[(1S)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC[C@H]1C2=CC=CN2CCN1C(=O)NC3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations