Geometry & MOs

Info

ID:	416072
PubChem CID:	135089080
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	7.36
IP(EA), eV:	-9.46(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3CCC(CC3)O

DOS

IR

Vibrations