Geometry & MOs

Info

ID:	420174
PubChem CID:	135111655
Reduced:	N5O7C31H47 (1)
Stoich.:	A5B7C31D47 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-329.2
Dipole, Da:	8.89
IP(EA), eV:	-9.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-1H-pyrazol-5-yl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)COC)C(C)C

DOS

IR

Vibrations