Geometry & MOs

Info

ID:	416157
PubChem CID:	135089165
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-91.01
Dipole, Da:	2.5
IP(EA), eV:	-8.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2[C@H](OCCN2CC3=NC4=CC=CC=C4N3)CO)OC

DOS

IR

Vibrations