Geometry & MOs

Info

ID:	417549
PubChem CID:	135101913
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	7.11
IP(EA), eV:	-8.84(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations