Geometry & MOs

Info

ID:	348290
PubChem CID:	127273355
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	5.62
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-3-oxopropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations