Geometry & MOs

Info

ID:	414299
PubChem CID:	135087255
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-86.24
Dipole, Da:	6.61
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)CC=C

DOS

IR

Vibrations