Geometry & MOs

Info

ID:	365126
PubChem CID:	127316883
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	4.7
IP(EA), eV:	-8.56(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CN3CCCNC3=O

DOS

IR

Vibrations