Geometry & MOs

Info

ID:	179071
PubChem CID:	76429533
Reduced:	ClO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	476.16714
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	2.27
IP(EA), eV:	-9.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4-methoxyphenyl)methyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)N2CC(CC2C(=O)N1)NCC3=CN(N=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations