Geometry & MOs

Info

ID:	419578
PubChem CID:	135108466
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	4.14
Dipole, Da:	3.47
IP(EA), eV:	-8.91(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-4-methylphenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations