Geometry & MOs

Info

ID:	189399
PubChem CID:	77849477
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	5.49
IP(EA), eV:	-9.07(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-oxo-5H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1NC(CC(=O)N1)CCNC(=O)C2=C(NN=C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations