Geometry & MOs

Info

ID:	414730
PubChem CID:	135087691
Reduced:	O2N5C15H27 (1)
Stoich.:	A2B5C15D27 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-71.86
Dipole, Da:	3.31
IP(EA), eV:	-8.13(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C(C)N2CCN(CC2)C

DOS

IR

Vibrations