Geometry & MOs

Info

ID:	423268
PubChem CID:	135119216
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	4.53
IP(EA), eV:	-9.04(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCCC(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations