Geometry & MOs

Info

ID:	178179
PubChem CID:	76290372
Reduced:	NO5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	445.232519
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	3.51
IP(EA), eV:	-8.05(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[(2,4-dioxo-7-propan-2-yl-1-propyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carbonyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C=C1)OCC(=O)N(CC2CCCO2)CC3=CC=CC=C3OC)OC

DOS

IR

Vibrations