Geometry & MOs

Info

ID:	365089
PubChem CID:	127316831
Reduced:	OCl2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	18.48
Dipole, Da:	6.16
IP(EA), eV:	-8.57(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)phenoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=NN(C(=N3)C)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations