Geometry & MOs

Info

ID:	287046
PubChem CID:	104231725
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-60.07
Dipole, Da:	8.7
IP(EA), eV:	-9.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]-N-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)N2C=CC(=N2)C(=O)NC)O

DOS

IR

Vibrations