Geometry & MOs

Info

ID:	416437
PubChem CID:	135089450
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	0.4
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-9-(cyclopent-3-ene-1-carbonyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCCN2C(=O)C3=CC=CC=C3C=N2)C(=O)N

DOS

IR

Vibrations