Geometry & MOs

Info

ID:	365109
PubChem CID:	127316851
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-111.57
Dipole, Da:	3.99
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)COC3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations