Geometry & MOs

Info

ID:	417172
PubChem CID:	135091568
Reduced:	N4O7C32H34 (1)
Stoich.:	A4B7C32D34 (1)
Weight, g/mol:	378.226705
ΔH_f, kcal/mol:	98.71
Dipole, Da:	3.19
IP(EA), eV:	-5.53(-4.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[2-ethyl-5-(2-methylpropyl)pyrazole-3-carbonyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCOCCOC4=CC=C(C=C4)C5C6=CC(=C(C=C6CCN5C(=O)C3)OC)OC

DOS

IR

Vibrations