Geometry & MOs

Info

ID:	167913
PubChem CID:	74896579
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	2.68
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-methyl-5-(3-methylbutyl)-6-oxo-5H-pyrimidin-2-yl]piperidine-1-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C2CCNC3C2C(=O)NC(N3)N4CCC(CC4)CC5=CC=CC=C5)C(=O)O1

DOS

IR

Vibrations