Geometry & MOs

Info

ID:	299893
PubChem CID:	117852663
Reduced:	N6H46C67 (1)
Stoich.:	A6B46C67 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	348.53
Dipole, Da:	2.4
IP(EA), eV:	-8.27(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamic acid

Drug info:

Smile

C=C(C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6)C(=N2)C8=CC=C(C=C8)N9C1=CC=CC=C1N=C9C1=CC=CC=C1)N(CC1=CC=CC=N1)C1=CC=CC=C1

DOS

IR

Vibrations