Geometry & MOs

Info

ID:	416107
PubChem CID:	135089115
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	7.21
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)NC2CCN(CC2)C(=O)NC3CCCCC3

DOS

IR

Vibrations