Geometry & MOs

Info

ID:	365473
PubChem CID:	127317892
Reduced:	O2N4C15H28 (1)
Stoich.:	A2B4C15D28 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-104.75
Dipole, Da:	2.08
IP(EA), eV:	-8.53(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)NCC(=O)N2CCCCC2)C

DOS

IR

Vibrations