Geometry & MOs

Info

ID:	365011
PubChem CID:	127316661
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	376.141452
ΔH_f, kcal/mol:	-32.85
Dipole, Da:	1.99
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations