Geometry & MOs

Info

ID:	414395
PubChem CID:	135087352
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	387.190654
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	4.07
IP(EA), eV:	-8.81(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)N(CCO)CC2=C(NC=N2)C)C

DOS

IR

Vibrations