Geometry & MOs

Info

ID:	137884
PubChem CID:	52279633
Reduced:	O2N5C22H30 (1)
Stoich.:	A2B5C22D30 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.948237
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1R)-1-[[6-(diethylamino)pyridin-3-yl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=[NH+]C=C(C=C1)NC(=O)N[C@H](C)C2=CC=C(C=C2)NC(=O)C3CC3

DOS

IR

Vibrations